(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H12N2O2 — CID 170174050

IUPAC(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1[C@H](CCO)CC2
InChIInChI=1S/C9H12N2O2/c12-6-4-7-1-2-8-10-5-3-9(13)11(7)8/h3,5,7,12H,1-2,4,6H2/t7-/m0/s1
InChIKeyBMZGZDLBLHOHPY-ZETCQYMHSA-N
MW180.21 g/mol
LogP0.11
Rot. Bonds2

About (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 170174050) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID170174050
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1[C@H](CCO)CC2
InChIInChI=1S/C9H12N2O2/c12-6-4-7-1-2-8-10-5-3-9(13)11(7)8/h3,5,7,12H,1-2,4,6H2/t7-/m0/s1
InChIKeyBMZGZDLBLHOHPY-ZETCQYMHSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 170174050) is (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=c1ccnc2n1[C@H](CCO)CC2.
What is the InChIKey of (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is BMZGZDLBLHOHPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-6-4-7-1-2-8-10-5-3-9(13)11(7)8/h3,5,7,12H,1-2,4,6H2/t7-/m0/s1.
What are the key properties of (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170174050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).